Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CYP3A4 | P08684 | 6/20 | 0.50 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.48 |
| ▸ | THRB | P10828 | 2/20 | 0.44 |
| ▸ | CD44 | P16070 | 1/20 | 0.42 |
| ▸ | TSHR | P16473 | 3/20 | 0.39 |
| ▸ | TP53 | P04637 | 1/20 | 0.38 |
| ▸ | MAPT | P10636 | 3/20 | 0.37 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.37 |
| ▸ | RAD52 | P43351 | 1/20 | 0.37 |
| ▸ | POLB | P06746 | 1/20 | 0.36 |
| ▸ | HTT | P42858 | 1/20 | 0.36 |
| ▸ | PLA2G7 | Q13093 | 1/20 | 0.35 |
| ▸ | CA1 | P00915 | 1/20 | 0.34 |
| ▸ | CA2 | P00918 | 1/20 | 0.34 |
| ▸ | PDE10A | Q9Y233 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 3/20 | 0.34 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.34 |
| ▸ | CASP1 | P29466 | 1/20 | 0.32 |
| ▸ | MEN1 | O00255 | 1/20 | 0.31 |
| ▸ | NR4A1 | P22736 | 1/20 | 0.31 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8840260 | 0.87 | ALDH1A1 (0.61) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL526416 | 0.84 | ALDH1A1 (0.47) | CYP3A4ALDH1A1THRBCD44TSHR | |
| SCHEMBL10947387 | 0.77 | CYP3A4 (0.52) | CYP3A4ALDH1A1THRBCD44TSHR | |
| SCHEMBL525350 | 0.77 | CYP3A4 (0.65) | CYP3A4ALDH1A1THRBCD44TSHR | |
| SCHEMBL24622828 | 0.77 | CYP3A4 (0.52) | CYP3A4ALDH1A1THRBCD44TSHR | |
| SCHEMBL8171792 | 0.77 | CYP3A4 (0.52) | CYP3A4ALDH1A1THRBCD44TSHR | |
| SCHEMBL1505303 | 0.74 | RAPGEF4 (0.45) | CYP3A4ALDH1A1CD44TSHRTP53 | |
| SCHEMBL11014169 | 0.73 | CYP3A4 (0.48) | CYP3A4ALDH1A1THRBCD44TSHR | |
| SCHEMBL24616493 | 0.73 | CYP3A4 (0.46) | CYP3A4ALDH1A1THRBTSHRTP53 | |
| SCHEMBL22644377 | 0.73 | CYP3A4 (0.48) | CYP3A4ALDH1A1THRBCD44TSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022148422-A1 | BRIDGED COMPOUNDS AS KRAS G12D INHIBITOR AND DEGRADER AND THE USE THEREOF | BEIGENE, LTD. (KY) | 2022-07-14 | — | — | WO | disclosed |